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Isotopically Labeled Compounds

Chemicals to which isotopes have been attached in order to label specific atoms. Isotopically labeled compounds are commonly used in synthetic chemistry, characterization techniques such as NMR, and biology.
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1 – 15 of 147 results
1

Chloroform-d, for NMR, 99.8 atom % D

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

PubChem CID 71583
CAS 865-49-6
Molecular Weight (g/mol) 120.375
ChEBI CHEBI:85365
MDL Number MFCD00000827
SMILES C(Cl)(Cl)Cl
Synonym chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
IUPAC Name trichloro(deuterio)methane
InChI Key HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula CHCl3
2

Deuterium oxide, for NMR, 99.8 atom % D

CAS: 7789-20-0 Molecular Formula: H2O Molecular Weight (g/mol): 20.03 MDL Number: MFCD00044636 InChI Key: XLYOFNOQVPJJNP-ZSJDYOACSA-N Synonym: deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o PubChem CID: 24602 ChEBI: CHEBI:41981 IUPAC Name: [(²H)oxy](²H) SMILES: [2H]O[2H]

PubChem CID 24602
CAS 7789-20-0
Molecular Weight (g/mol) 20.03
ChEBI CHEBI:41981
MDL Number MFCD00044636
SMILES [2H]O[2H]
Synonym deuterium oxide,water-d2,heavy water,deuterated water,dideuterium oxide,heavy water-d2,heavy water d2o,water sup 2-h2,deuterium oxide usan,water, heavy d2-o
IUPAC Name [(²H)oxy](²H)
InChI Key XLYOFNOQVPJJNP-ZSJDYOACSA-N
Molecular Formula H2O
5

Methyl sulfoxide-d6, for NMR, 99.8 atom % D

CAS: 2206-27-1 Molecular Formula: C2H6OS Molecular Weight (g/mol): 84.17 MDL Number: MFCD00002090 InChI Key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N Synonym: dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide PubChem CID: 75151 SMILES: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]

PubChem CID 75151
CAS 2206-27-1
Molecular Weight (g/mol) 84.17
MDL Number MFCD00002090
SMILES [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
Synonym dimethyl sulfoxide-d6,dmso-d6,dimethylsulfoxide-d6,deuterated dmso,methane-d3,sulfinylbis-9ci,methane-d3, sulfinylbis,hexadeuterodimethyl sulfoxide,methane-d3-, sulfinylbis,methanesulfinylmethyl hydrogen,dimethyl-d6 sulfoxide
InChI Key IAZDPXIOMUYVGZ-WFGJKAKNSA-N
Molecular Formula C2H6OS
6

Chloroform-d, for NMR, 99.8 atom % D, stabilized with silver foil

CAS: 865-49-6 Molecular Formula: CHCl3 Molecular Weight (g/mol): 120.375 MDL Number: MFCD00000827 InChI Key: HEDRZPFGACZZDS-MICDWDOJSA-N Synonym: chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero PubChem CID: 71583 ChEBI: CHEBI:85365 IUPAC Name: trichloro(deuterio)methane SMILES: C(Cl)(Cl)Cl

PubChem CID 71583
CAS 865-49-6
Molecular Weight (g/mol) 120.375
ChEBI CHEBI:85365
MDL Number MFCD00000827
SMILES C(Cl)(Cl)Cl
Synonym chloroform-d,deuterochloroform,methane-d, trichloro,2h chloroform,deuterated chloroform,cdcl3,trichloromethane-d,unii-p1nw4885vt,trichloro deuterio methane,chloroform, deutero
IUPAC Name trichloro(deuterio)methane
InChI Key HEDRZPFGACZZDS-MICDWDOJSA-N
Molecular Formula CHCl3
7

Methanol-d4, for NMR, 99.5 atom % D

CAS: 811-98-3 Molecular Formula: CH4O Molecular Weight (g/mol): 36.066 MDL Number: MFCD00044637 InChI Key: OKKJLVBELUTLKV-MZCSYVLQSA-N Synonym: methanol-d4,perdeuteromethanol,tetradeuteromethanol,methan-d3-ol-d,2h4 methanol,methyl alcohol-d4,cd3od,methyl-d3 alcohol-d,trideuterio deuteriooxy methane,methanol-d4, 99.8 atom % d PubChem CID: 71568 IUPAC Name: trideuterio(deuteriooxy)methane SMILES: CO

PubChem CID 71568
CAS 811-98-3
Molecular Weight (g/mol) 36.066
MDL Number MFCD00044637
SMILES CO
Synonym methanol-d4,perdeuteromethanol,tetradeuteromethanol,methan-d3-ol-d,2h4 methanol,methyl alcohol-d4,cd3od,methyl-d3 alcohol-d,trideuterio deuteriooxy methane,methanol-d4, 99.8 atom % d
IUPAC Name trideuterio(deuteriooxy)methane
InChI Key OKKJLVBELUTLKV-MZCSYVLQSA-N
Molecular Formula CH4O
11

Isopropanol-d8, for NMR, 99+ atom % D

CAS: 22739-76-0 Molecular Formula: C3H8O Molecular Weight (g/mol): 68.15 MDL Number: MFCD00044341 InChI Key: KFZMGEQAYNKOFK-PIODKIDGSA-N Synonym: 2-propanol-d8,isopropanol-d8,2 h? propan-2-2 h ol,octadeuteroisopropanol,2h8-2-propanol,2-propan-1,1,1,2,3,3,3-d7-ol-d,2-propanol-d isotopic 1g,2-propanol-d8, 99.5 atom % d PubChem CID: 2723972 IUPAC Name: 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane SMILES: [2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

PubChem CID 2723972
CAS 22739-76-0
Molecular Weight (g/mol) 68.15
MDL Number MFCD00044341
SMILES [2H]OC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Synonym 2-propanol-d8,isopropanol-d8,2 h? propan-2-2 h ol,octadeuteroisopropanol,2h8-2-propanol,2-propan-1,1,1,2,3,3,3-d7-ol-d,2-propanol-d isotopic 1g,2-propanol-d8, 99.5 atom % d
IUPAC Name 1,1,1,2,3,3,3-heptadeuterio-2-deuteriooxypropane
InChI Key KFZMGEQAYNKOFK-PIODKIDGSA-N
Molecular Formula C3H8O
12

Acetonitrile-d3, for NMR, 99.8 atom % D

CAS: 2206-26-0 Molecular Weight (g/mol): 44.07

CAS 2206-26-0
Molecular Weight (g/mol) 44.07
14

Trifluoroacetic acid-d, for NMR, 99.5 atom % D

CAS: 599-00-8 Molecular Formula: C2HF3O2 Molecular Weight (g/mol): 115.029 MDL Number: MFCD00044563 InChI Key: DTQVDTLACAAQTR-DYCDLGHISA-N PubChem CID: 71502 IUPAC Name: deuterio 2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)O

PubChem CID 71502
CAS 599-00-8
Molecular Weight (g/mol) 115.029
MDL Number MFCD00044563
SMILES C(=O)(C(F)(F)F)O
IUPAC Name deuterio 2,2,2-trifluoroacetate
InChI Key DTQVDTLACAAQTR-DYCDLGHISA-N
Molecular Formula C2HF3O2